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PubMed code 21875805

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25164
PNG
(2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1
Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 367n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 catalytic domain (residues Thr648-Thr1057) expressed in Escherichia coli BL21using fluorogenic substrate by fluorescence as...


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50354831
PNG
(CHEMBL1833976)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H41F3N4O6/c1-4-18(2)25-29(42)37-16-8-10-23(37)28(41)34-21(9-6-5-7-11-24(38)30(31,32)33)26(39)35-22(27(40)36-25)17-19-12-14-20(43-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18-,21+,22-,23-,25+/m1/s1
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50121062
PNG
(9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...)
Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 assessed as substrate deacetylation using N-acetyl-L-Arg-LHis-L-Lys(epsilon-acetyl)-L-Lys(epsilon-acetyl)-coumarin as substrate p...


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair
Acetylpolyamine amidohydrolase (APAH)


(Mycoplana ramosa (Gram-negative bacterium))
BDBM50121062
PNG
(9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...)
Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of Mycoplana ramosa acetylpolyamine amidohydrolase assessed as substrate deacetylation using L-Lys(epsilon-acetyl)-coumarin as substrate p...


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50354832
PNG
(CHEMBL1834160)
Show SMILES N[C@@H](CCCCC=O)C(O)=O
Show InChI InChI=1S/C7H13NO3/c8-6(7(10)11)4-2-1-3-5-9/h5-6H,1-4,8H2,(H,10,11)/t6-/m0/s1
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Article
PubMed
n/an/an/a 6.00E+4n/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Displacement of [14C-guanidino]-L-arginine from human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%